| SpectraBase Compound ID | 6jyuROncEND |
|---|---|
| InChI | InChI=1S/C58H96O27/c1-22(21-75-51-43(69)41(67)38(64)32(18-59)79-51)10-15-58(74-7)23(2)35-31(85-58)17-30-28-9-8-26-16-27(11-13-56(26,5)29(28)12-14-57(30,35)6)78-55-50(84-53-45(71)40(66)37(63)25(4)77-53)47(73)49(34(20-61)81-55)83-54-46(72)42(68)48(33(19-60)80-54)82-52-44(70)39(65)36(62)24(3)76-52/h8,22-25,27-55,59-73H,9-21H2,1-7H3/t22-,23+,24-,25+,27+,28-,29+,30+,31+,32+,33-,34-,35+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45-,46-,47+,48-,49-,50-,51+,52-,53+,54+,55-,56?,57?,58?/m1/s1 |
| InChIKey | QNXAZZVPTXKYTJ-VZNYTXJZSA-N |
| Mol Weight | 1225.4 g/mol |
| Molecular Formula | C58H96O27 |
| Exact Mass | 1224.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rATECazijJ |
|---|---|
| Name | #53;METHYL-PROTO-CAUSIAROSIDE-I;26-O-BETA-D-GLUCOPYRANOSYL-22-XI-METHOXY-3-BETA,26-DIHYDROXY-(25R)-5-BETA-FUROST-5-ENE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H96O27 |
| InChI | InChI=1S/C58H96O27/c1-22(21-75-51-43(69)41(67)38(64)32(18-59)79-51)10-15-58(74-7)23(2)35-31(85-58)17-30-28-9-8-26-16-27(11-13-56(26,5)29(28)12-14-57(30,35)6)78-55-50(84-53-45(71)40(66)37(63)25(4)77-53)47(73)49(34(20-61)81-55)83-54-46(72)42(68)48(33(19-60)80-54)82-52-44(70)39(65)36(62)24(3)76-52/h8,22-25,27-55,59-73H,9-21H2,1-7H3/t22-,23+,24-,25+,27+,28-,29+,30+,31+,32+,33-,34-,35+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45-,46-,47+,48-,49-,50-,51+,52-,53+,54+,55-,56?,57?,58?/m1/s1 |
| InChIKey | QNXAZZVPTXKYTJ-VZNYTXJZSA-N |
| Literature Reference Author | P.K.AGRAWAL |
| Literature Reference Citation | STEROIDS,70,715(2005) |
| Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
| Molecular Weight | 1225.384 g/mol |
| Sample ID | 968798 |
| Solvent | C5D5N |